CID 71742

Lombazole

Structural Information

Molecular Formula

C₂₂H₁₇ClN₂

SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(C3=CC=CC=C3Cl)N4C=CN=C4

InChI

InChI=1S/C22H17ClN2/c23-21-9-5-4-8-20(21)22(25-15-14-24-16-25)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16,22H

InChIKey

DALSNPRWUFOYDT-UHFFFAOYSA-N

Compound name

1-[(2-chlorophenyl)-(4-phenylphenyl)methyl]imidazole

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 474
Patents: 344.10803 Da
Monoisotopic Mass: 5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	345.115306	182.1
[M+Na]+	367.097248	190.0
[M-H]-	343.100754	191.6
[M+NH4]+	362.141853	194.1
[M+K]+	383.071188	181.5
[M+H-H2O]+	327.105290	170.7
[M+HCOO]-	389.106231	198.4
[M+CH3COO]-	403.121881	192.3
[M+Na-2H]-	365.082696	184.3
[M]+	344.10748142	182.7
[M]-	344.10857858	182.7

Literature stripe

literature stripe

Patent stripe

patents stripe